N-[4-[2-(4-chloro-2-methylphenoxy)ethylsulfamoyl]phenyl]acetamide

C17H19ClN2O4S — CID 607667

IUPACN-[4-[2-(4-chloro-2-methylphenoxy)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-12-11-14(18)3-8-17(12)24-10-9-19-25(22,23)16-6-4-15(5-7-16)20-13(2)21/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyLQPUANPDHDTIDD-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.96
Rot. Bonds7

About N-[4-[2-(4-chloro-2-methylphenoxy)ethylsulfamoyl]phenyl]acetamide

N-[4-[2-(4-chloro-2-methylphenoxy)ethylsulfamoyl]phenyl]acetamide (PubChem CID 607667) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-[4-[2-(4-chloro-2-methylphenoxy)ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-chloro-2-methylphenoxy)ethylsulfamoyl]phenyl]acetamide
PubChem CID607667
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC NameN-[4-[2-(4-chloro-2-methylphenoxy)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-12-11-14(18)3-8-17(12)24-10-9-19-25(22,23)16-6-4-15(5-7-16)20-13(2)21/h3-8,11,19H,9-10H2,1-2H3,(H,20,21)
InChIKeyLQPUANPDHDTIDD-UHFFFAOYSA-N
XLogP2.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Fenasulam
CID 12923188
Acetamide, N-(4-(aminosulfonyl)phenyl)-2-(4-chlorophenoxy)-
CID 151533
N-(4-{[(3-chloro-4-methoxybenzyl)oxy]sulfamoyl}phenyl)acetamide
CID 1301227
2-[N-(4-Chloro-2-methylphenyl)benzenesulfonamido]-N-(4-ethoxyphenyl)acetamide
CID 1260663
N-(4-{[(4-butoxy-3-chlorobenzyl)oxy]sulfamoyl}phenyl)acetamide
CID 1975036
4-[[5-Chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide
CID 979809
2-{4-Chloro-5-[(4-ethoxyanilino)sulfonyl]-2-methylphenoxy}acetamide
CID 992267
2-(4-Chloro-5-{[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl}-2-methylphenoxy)acetamide
CID 992270
2-[4-Chloro-2-methyl-5-(3-toluidinosulfonyl)phenoxy]acetamide
CID 992283
2-[4-Chloro-2-methyl-5-(4-toluidinosulfonyl)phenoxy]acetamide
CID 992284
2-{4-Chloro-5-[(4-methoxyanilino)sulfonyl]-2-methylphenoxy}acetamide
CID 992285
N-(5-chloro-2-phenoxyphenyl)-3-{4-[(isopropylamino)sulfonyl]phenyl}propanamide
CID 1006992

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chloro-2-methylphenoxy)ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(4-chloro-2-methylphenoxy)ethylsulfamoyl]phenyl]acetamide (CID 607667) is N-[4-[2-(4-chloro-2-methylphenoxy)ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-chloro-2-methylphenoxy)ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(4-chloro-2-methylphenoxy)ethylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2C)cc1.
What is the InChIKey of N-[4-[2-(4-chloro-2-methylphenoxy)ethylsulfamoyl]phenyl]acetamide?
The InChIKey is LQPUANPDHDTIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-12-11-14(18)3-8-17(12)24-10-9-19-25(22,23)16-6-4-15(5-7-16)20-13(2)21/h3-8,11,19H,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-[4-[2-(4-chloro-2-methylphenoxy)ethylsulfamoyl]phenyl]acetamide?
N-[4-[2-(4-chloro-2-methylphenoxy)ethylsulfamoyl]phenyl]acetamide has a molecular weight of 382.87 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-chloro-2-methylphenoxy)ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 607667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).